N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C11H23NO2 — CID 82706702

IUPACN-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCONC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-14-10-6-9(12-13-5)11(10,3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyBDEFWIIXFNJGRF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.98
Rot. Bonds5

About N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 82706702) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID82706702
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCONC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-14-10-6-9(12-13-5)11(10,3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyBDEFWIIXFNJGRF-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 82706702) is N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CONC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is BDEFWIIXFNJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)7-14-10-6-9(12-13-5)11(10,3)4/h8-10,12H,6-7H2,1-5H3.
What are the key properties of N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 82706702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).